3-[ethyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid

C16H24N2O3 — CID 62851250

IUPAC3-[ethyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)NCCc1cccc(C)c1
InChIInChI=1S/C16H24N2O3/c1-4-18(11-13(3)15(19)20)16(21)17-9-8-14-7-5-6-12(2)10-14/h5-7,10,13H,4,8-9,11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyXOXADHVWLMIRNR-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.29
Rot. Bonds7

About 3-[ethyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid

3-[ethyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62851250) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[ethyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID62851250
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[ethyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)NCCc1cccc(C)c1
InChIInChI=1S/C16H24N2O3/c1-4-18(11-13(3)15(19)20)16(21)17-9-8-14-7-5-6-12(2)10-14/h5-7,10,13H,4,8-9,11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyXOXADHVWLMIRNR-UHFFFAOYSA-N
XLogP2.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea
CID 108900811
3-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62854086
2-methyl-3-[methyl-[(3-methylphenyl)methylcarbamoyl]amino]propanoic acid
CID 55007666
3-[2-(3,5-dimethylphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122003314
3-[ethyl(3-methylbutylcarbamoyl)amino]-2-methylpropanoic acid
CID 62852278
2-methyl-4-(3-methylphenyl)butanoic acid
CID 79002257
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292
(2R)-4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 62315044
4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 62313412
1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891107
2-[tert-butyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]acetic acid
CID 79264465
3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid (CID 62851250) is 3-[ethyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)NCCc1cccc(C)c1.
What is the InChIKey of 3-[ethyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is XOXADHVWLMIRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-18(11-13(3)15(19)20)16(21)17-9-8-14-7-5-6-12(2)10-14/h5-7,10,13H,4,8-9,11H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 3-[ethyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid?
3-[ethyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62851250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).